2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one

C23H22N4O3 — CID 173253064

IUPAC2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one
SMILESCC(Cc1cccc(C(=O)c2ccccc2)c1)c1cc(N=C2NC(=O)CN2C)on1
InChIInChI=1S/C23H22N4O3/c1-15(19-13-21(30-26-19)25-23-24-20(28)14-27(23)2)11-16-7-6-10-18(12-16)22(29)17-8-4-3-5-9-17/h3-10,12-13,15H,11,14H2,1-2H3,(H,24,25,28)
InChIKeyVOAMEJDNPCQGPC-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.30
Rot. Bonds6

About 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one

2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one (PubChem CID 173253064) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one
PubChem CID173253064
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one
SMILESCC(Cc1cccc(C(=O)c2ccccc2)c1)c1cc(N=C2NC(=O)CN2C)on1
InChIInChI=1S/C23H22N4O3/c1-15(19-13-21(30-26-19)25-23-24-20(28)14-27(23)2)11-16-7-6-10-18(12-16)22(29)17-8-4-3-5-9-17/h3-10,12-13,15H,11,14H2,1-2H3,(H,24,25,28)
InChIKeyVOAMEJDNPCQGPC-UHFFFAOYSA-N
XLogP3.30
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one?
The IUPAC name of 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one (CID 173253064) is 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one.
What is the SMILES notation for 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one?
The canonical SMILES for 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one is CC(Cc1cccc(C(=O)c2ccccc2)c1)c1cc(N=C2NC(=O)CN2C)on1.
What is the InChIKey of 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one?
The InChIKey is VOAMEJDNPCQGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15(19-13-21(30-26-19)25-23-24-20(28)14-27(23)2)11-16-7-6-10-18(12-16)22(29)17-8-4-3-5-9-17/h3-10,12-13,15H,11,14H2,1-2H3,(H,24,25,28).
What are the key properties of 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one?
2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one has a molecular weight of 402.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]imino]-1-methylimidazolidin-4-one is sourced from PubChem (CID 173253064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).